N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]pyridine-3-carboxamide
Formula:C23H23N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C23H23N5O4 |
| Smiles | [O-][N+](c1cc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\NC(c2cnccc2)=O)ccc1)=O |
| InChI | InChI=1S/C23H23N5O4/c29-23(20-4-2-8-24-15-20)26-25-16-19-7-6-18(22(19)27-9-11-32-12-10-27)13-17-3-1-5-21(14-17)28(30)31/h1-5,8,13-16H,6-7,9-12H2,(H,26,29) |
| InChIK | GJZDHXNBNKXGCU-UHFFFAOYSA-N |
| TotalMolweight | 433.467 |
| Molweight | 433.467 |
| MonoisotopicMass | 433.175005 |
| CLogP | 1.8586 |
| CLogS | -3.952 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 332.91 |
| Relative PSA | 0.2732 |
| PolarSurfaceArea | 112.64 |
| Druglikeness | -0.38774 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]pyridine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off